(2E)-2-[(Z)-(4-anilinophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C27H21N3O
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(2E)-2-[(Z)-(4-anilinophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is not a drug-like molecule.
| MolName | (2E)-2-[(Z)-(4-anilinophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C27H21N3O |
| Smiles | O=C(/C(/c1ccccc1)=N/N=C\c(cc1)ccc1Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H21N3O/c31-27(23-12-6-2-7-13-23)26(22-10-4-1-5-11-22)30-28-20-21-16-18-25(19-17-21)29-24-14-8-3-9-15-24/h1-20,29H |
| InChIK | TUGXOMBFYZFTMH-UHFFFAOYSA-N |
| TotalMolweight | 403.484 |
| Molweight | 403.484 |
| MonoisotopicMass | 403.168462 |
| CLogP | 6.8075 |
| CLogS | -7.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.48 |
| Relative PSA | 0.14423 |
| PolarSurfaceArea | 53.82 |
| Druglikeness | 3.1749 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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